Organism: Homo Sapiens
Target: PARP1 (Poly ADP ribose polymerase)
NCBI Gene # or RefSeq#: NM_001618.3
EC#:2.4.2.30
PDB # or closest PDB entry is using homology model:
Background/Disease:
Several forms of cancer are more dependent on PARP than regular cells, making PARP an attractive target for VDS based drug discovery . In addition to their use in cancer therapy, PARP inhibitors are considered a potential treatment for acute life-threatening diseases, such as stroke and myocardial infarction, as well as for long-term neurodegenerative diseases.

Poly (ADP-ribose) polymerase 1(PRAP1), also known as NAD(+) ADP-ribosyltransferase 1(ADPRT), is a chromatin-associated enzyme which modifies various nuclear proteins by poly(ADP-ribosyl)ation. The ADP-D-ribosyl group of NAD+ is transferred to an acceptor carboxyl group on a histone or the enzyme itself, and further ADP-ribosyl groups are transferred to the 2'-position of the terminal adenosine moiety, building up a polymer with an average chain length of 20-30 units. The poly(ADP-ribosyl)ation modification is critical for a wide range of processes, including DNA repair, regulation of chromosome structure, transcriptional regulation, mitosis and apoptosis. PARP1 is demonstrateed to mediate the (ADP-ribose) ation of APLF (aprataxin PNK-like factor) and CHFR (checkpoint protein with FHA and RING domains), two representative proteins involved in the DNA damage response and checkpoint regulation. Further, It has been suggested that DNA-dependent protein kinase (DNA-PK), another component of DNA repair, suppresses PARP activity, probably through direct binding and/or sequestration of DNA-ends which serve as an important stimulator for both enzymes. PARP1 inhibitors is thus proposed as a targeted cancer therapy for recombination deficient cancers, such as BRCA2 tumors.

Proven Inhibitors, use for comparison in enzyme assay?:

4-Amino-1,8-Napthalimide (Catalog # 4667-50-09)

Inhibitor of poly(ADP-ribose) polymerase (PARP). Can be used with PARP Assay.

6(5H)-Phenanthridinone (Catalog # 4667-50-10)

Inhibitor of poly(ADP-ribose) polymerase (PARP) and displays immunosuppressive activity. Can be used with PARP Assay.

6-Biotin-17-NAD (Catalog # 4670-500-01)

Non-isotopic alternative to radiolabeled NAD for studies requiring this substrate. Can be used with PARP Assay.

Benzamide (Catalog # 4667-50-11)

A potent inhibitor of poly(ADP-ribose) polymerase (PARP). It is able to prevent nuclear fragmentation and apoptotic-body formation without affecting DNA fragmentation during apoptosis. Can be used with PARP Assay.

Function-
PARP is found in the cell’s nucleus, the main role is to detect and signal single strand DNA breaks (SSB) to the enzymatic machinery involved in the SSB repair. PARP activation is an immediate cellular response to metabolic, chemical, or radiation-induced DNA SSB damage. Once PARP detects a SSB it binds to the DNA, and, after a structural change, begin the synthesis of a poly(ADP-ribose)chain (PAR)as a signal for the other DNA repairing enzymes such as DNA ligase III (LigIII), DNA polymerase beta (polβ) and scaffolding proteins such as x-ray cross complementing gene 1 (XRCC1). After repairing, the PAR chains are degraded via PAR glycohydrolase (PARG). Interestingly, NAD+ is required as substrate for generating ADP-ribose monomers. The overactivation of PARP may deplete the stores of cellular NAD+ and induce a progressive ATP depletion, since glucose oxidation is inhibited, and necrotic cell death. In this regard, PARP is inactivated by caspase-3 cleavage (in a specific domain of the enzyme) during programmed cell death. PARP enzymes are essential in a number of cellular functions , including expression of inflammatory genes : PARP1 is required for the induction of ICAM-1 gene expression by smooth muscle cells, in response to TNF .

Image of protein from PDB:


Protein_PARP1_PDB_1uk0.png
CDS Gene Sequence:
        1 aggcatcagc aatctatcag ggaacggcgg tggccggtgc ggcgtgttcg gtggcggctc
       61 tggccgctca ggcgcctgcg gctgggtgag cgcacgcgag gcggcgaggc ggcagcgtgt
      121 ttctaggtcg tggcgtcggg cttccggagc tttggcggca gctaggggag gatggcggag
      181 tcttcggata agctctatcg agtcgagtac gccaagagcg ggcgcgcctc ttgcaagaaa
      241 tgcagcgaga gcatccccaa ggactcgctc cggatggcca tcatggtgca gtcgcccatg
      301 tttgatggaa aagtcccaca ctggtaccac ttctcctgct tctggaaggt gggccactcc
      361 atccggcacc ctgacgttga ggtggatggg ttctctgagc ttcggtggga tgaccagcag
      421 aaagtcaaga agacagcgga agctggagga gtgacaggca aaggccagga tggaattggt
      481 agcaaggcag agaagactct gggtgacttt gcagcagagt atgccaagtc caacagaagt
      541 acgtgcaagg ggtgtatgga gaagatagaa aagggccagg tgcgcctgtc caagaagatg
      601 gtggacccgg agaagccaca gctaggcatg attgaccgct ggtaccatcc aggctgcttt
      661 gtcaagaaca gggaggagct gggtttccgg cccgagtaca gtgcgagtca gctcaagggc
      721 ttcagcctcc ttgctacaga ggataaagaa gccctgaaga agcagctccc aggagtcaag
      781 agtgaaggaa agagaaaagg cgatgaggtg gatggagtgg atgaagtggc gaagaagaaa
      841 tctaaaaaag aaaaagacaa ggatagtaag cttgaaaaag ccctaaaggc tcagaacgac
      901 ctgatctgga acatcaagga cgagctaaag aaagtgtgtt caactaatga cctgaaggag
      961 ctactcatct tcaacaagca gcaagtgcct tctggggagt cggcgatctt ggaccgagta
     1021 gctgatggca tggtgttcgg tgccctcctt ccctgcgagg aatgctcggg tcagctggtc
     1081 ttcaagagcg atgcctatta ctgcactggg gacgtcactg cctggaccaa gtgtatggtc
     1141 aagacacaga cacccaaccg gaaggagtgg gtaaccccaa aggaattccg agaaatctct
     1201 tacctcaaga aattgaaggt taaaaaacag gaccgtatat tccccccaga aaccagcgcc
     1261 tccgtggcgg ccacgcctcc gccctccaca gcctcggctc ctgctgctgt gaactcctct
     1321 gcttcagcag ataagccatt atccaacatg aagatcctga ctctcgggaa gctgtcccgg
     1381 aacaaggatg aagtgaaggc catgattgag aaactcgggg ggaagttgac ggggacggcc
     1441 aacaaggctt ccctgtgcat cagcaccaaa aaggaggtgg aaaagatgaa taagaagatg
     1501 gaggaagtaa aggaagccaa catccgagtt gtgtctgagg acttcctcca ggacgtctcc
     1561 gcctccacca agagccttca ggagttgttc ttagcgcaca tcttgtcccc ttggggggca
     1621 gaggtgaagg cagagcctgt tgaagttgtg gccccaagag ggaagtcagg ggctgcgctc
     1681 tccaaaaaaa gcaagggcca ggtcaaggag gaaggtatca acaaatctga aaagagaatg
     1741 aaattaactc ttaaaggagg agcagctgtg gatcctgatt ctggactgga acactctgcg
     1801 catgtcctgg agaaaggtgg gaaggtcttc agtgccaccc ttggcctggt ggacatcgtt
     1861 aaaggaacca actcctacta caagctgcag cttctggagg acgacaagga aaacaggtat
     1921 tggatattca ggtcctgggg ccgtgtgggt acggtgatcg gtagcaacaa actggaacag
     1981 atgccgtcca aggaggatgc cattgagcac ttcatgaaat tatatgaaga aaaaaccggg
     2041 aacgcttggc actccaaaaa tttcacgaag tatcccaaaa agttctaccc cctggagatt
     2101 gactatggcc aggatgaaga ggcagtgaag aagctgacag taaatcctgg caccaagtcc
     2161 aagctcccca agccagttca ggacctcatc aagatgatct ttgatgtgga aagtatgaag
     2221 aaagccatgg tggagtatga gatcgacctt cagaagatgc ccttggggaa gctgagcaaa
     2281 aggcagatcc aggccgcata ctccatcctc agtgaggtcc agcaggcggt gtctcagggc
     2341 agcagcgact ctcagatcct ggatctctca aatcgctttt acaccctgat cccccacgac
     2401 tttgggatga agaagcctcc gctcctgaac aatgcagaca gtgtgcaggc caaggtggaa
     2461 atgcttgaca acctgctgga catcgaggtg gcctacagtc tgctcagggg agggtctgat
     2521 gatagcagca aggatcccat cgatgtcaac tatgagaagc tcaaaactga cattaaggtg
     2581 gttgacagag attctgaaga agccgagatc atcaggaagt atgttaagaa cactcatgca
     2641 accacacaca atgcgtatga cttggaagtc atcgatatct ttaagataga gcgtgaaggc
     2701 gaatgccagc gttacaagcc ctttaagcag cttcataacc gaagattgct gtggcacggg
     2761 tccaggacca ccaactttgc tgggatcctg tcccagggtc ttcggatagc cccgcctgaa
     2821 gcgcccgtga caggctacat gtttggtaaa gggatctatt tcgctgacat ggtctccaag
     2881 agtgccaact actgccatac gtctcaggga gacccaatag gcttaatcct gttgggagaa
     2941 gttgcccttg gaaacatgta tgaactgaag cacgcttcac atatcagcaa gttacccaag
     3001 ggcaagcaca gtgtcaaagg tttgggcaaa actacccctg atccttcagc taacattagt
     3061 ctggatggtg tagacgttcc tcttgggacc gggatttcat ctggtgtgaa tgacacctct
     3121 ctactatata acgagtacat tgtctatgat attgctcagg taaatctgaa gtatctgctg
     3181 aaactgaaat tcaattttaa gacctccctg tggtaattgg gagaggtagc cgagtcacac
     3241 ccggtggctc tggtatgaat tcacccgaag cgcttctgca ccaactcacc tggccgctaa
     3301 gttgctgatg ggtagtacct gtactaaacc acctcagaaa ggattttaca gaaacgtgtt
     3361 aaaggttttc tctaacttct caagtccctt gttttgtgtt gtgtctgtgg ggaggggttg
     3421 ttttggggtt gtttttgttt tttcttgcca ggtagataaa actgacatag agaaaaggct
     3481 ggagagagat tctgttgcat agactagtcc tatggaaaaa accaagcttc gttagaatgt
     3541 ctgccttact ggtttcccca gggaaggaaa aatacacttc cacccttttt tctaagtgtt
     3601 cgtctttagt tttgattttg gaaagatgtt aagcatttat ttttagttaa aaataaaaac
     3661 taatttcata ctatttagat tttctttttt atcttgcact tattgtcccc tttttagttt
     3721 tttttgtttg cctcttgtgg tgaggggtgt gggaagacca aaggaaggaa cgctaacaat
     3781 ttctcatact tagaaacaaa aagagctttc cttctccagg aatactgaac atgggagctc
     3841 ttgaaatatg tagtattaaa agttgcattt gaaattcttg actttcttat gggcactttt
     3901 gtcttccaaa ttaaaactct accacaaata tacttaccca agggctaata gtaatactcg
     3961 attaaaaatg cagatgcctt ctctaaaaaa aaaaaaaaaa a

Amino Acid Sequence:
1014 amino acids

MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAE
AGGVTGKGQDGIGSKAEKTLGDFAAEYAKSNRSTCKGCMEKIEKGQVRLSKKMVDPEKPQLGMIDRWYHPGCFVKNREELGFRPEYSASQ
LKGFSLLATEDKEALKKQLPGVKSEGKRKGDEVDGVDEVAKKKSKKEKDKDSKLEKALKAQNDLIWNIKDELKKVCSTNDLKELLIFNKQ
QVPSGESAILDRVADGMVFGALLPCEECSGQLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPKEFREISYLKKLKVKKQDRIFPPE
TSASVAATPPPSTASAPAAVNSSASADKPLSNMKILTLGKLSRNKDEVKAMIEKLGGKLTGTANKASLCISTKKEVEKMNKKMEEVKEAN
IRVVSEDFLQDVSASTKSLQELFLAHILSPWGAEVKAEPVEVVAPRGKSGAALSKKSKGQVKEEGINKSEKRMKLTLKGGAAVDPDSGLE
HSAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLEDDKENRYWIFRSWGRVGTVIGSNKLEQMPSKEDAIEHFMKLYEEKTGNAWHSKN
FTKYPKKFYPLEIDYGQDEEAVKKLTVNPGTKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAV
SQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEE
AEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADM
VSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYI
VYDIAQVNLKYLLKLKFNFKTSLW


http://www.nature.com/nm/journal/v17/n7/full/nm.2377.html
Dr. B